trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate

C7H12O3 — CID 11008032

IUPACtrans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6(5)8/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyXMPIOOIEGQJDKJ-PHDIDXHHSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds1

About trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate

trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate (PubChem CID 11008032) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate
PubChem CID11008032
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nametrans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6(5)8/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyXMPIOOIEGQJDKJ-PHDIDXHHSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate (CID 11008032) is trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is XMPIOOIEGQJDKJ-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6(5)8/h5-6,8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate?
trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 11008032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).